Affinin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    25394-57-4

    Molecular formula
    C14H23NO

    SMILES
    C/C=C/C=C\CC/C=C/C(=O)NCC(C)C

  • Odor profile

    Fragrance
    Fruity 60.03%
    Herbal 52.86%
    Spicy 48.3%
    Meaty 42.07%
    Citrus 32.74%
    Savory 27.73%
    Tropical 27.73%
    Grapefruit 26.3%
    Roasted 25.25%
    Mint 21.33%

     

    Flavor
    Herbal 45.86%
    Spicy 42.16%
    Oriental 22.69%
    Citrus 22.34%
    Diterpene 20.76%
    Pumpkin 20.66%
    Low 20.56%
    Nitrile 20.44%
    Terpentine 20.38%
    Mouldy 20.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.24 (weak base)

    Molecular weight
    221.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    339°C

    Flash point

    • 160.75 ˚C est.

    Solubility expt.

    • Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Spilanthol
    • 25394-57-4
    • Affinin
    • N-Isobutyl-2E-decenamide
    • (2E,6Z,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide
    • AFFININ [MI]
    • 4W9L3S4856
    • (2e,6z,8e)-n-(2-methylpropyl)-2,6,8-decatrienamide
    • 2,6,8-DECATRIENAMIDE, N-ISOBUTYL-, (E,E,Z)-
    • FEMA NO. 4668
    • N-Isobutyl-2(E),6(Z),8(E)-decatrienamide
    • (2E,6Z,8E)-N-Isobutyldeca-2,6,8-trienamide
    • (E,E,Z)-N-(2-Methylpropyl)-2,6,8-decatrienamide
    • 2,6,8-Decatrienamide, N-(2-methylpropyl)-, (E,E,Z)-
    • (2E,6Z,8E)-N-Isobutyl-2,6,8-decatrienamide
    • 2,6,8-Decatrienamide, N-(2-methylpropyl)-, (2E,6Z,8E)-
    • (2E,6Z,8E)-N-isobutyl-2,6,8-decatrienamid
    • UNII-4W9L3S4856
    • 2E,6Z,8E-Decatrienoic acid N-isobutylamide
    • SCHEMBL120348
    • SCHEMBL8505352
    • CHEMBL2287714
    • DTXSID90893963
    • AT33712
    • (2E, 6E, 8E)
    • DB-234823
    • HY-126383
    • CS-0103229
    • Spilanthol A mixture of (2E, 6Z, 8E) >80%
    • (2E,6Z,8E)-N-Isobutyl-2,6,8-decatrienamide #
    • (E,Z,E)-N-(2-Methylpropyl)-2,6,8-decatrienamide
    • Q7577248
    • (2e,6z,8e)-deca-2,6,8-trienoic acid isobutylamide
    • N-ISOBUTYLDECA-TRANS-2,CIS-6,TRANS-8-TRIENAMIDE
    • (2E,6E\/Z,8E)-N-(2-Methylpropyl)-2,6,8-decatrienamide
    • 2,6,8-Decatrienamide, N-(2-methylpropyl)-, (E,E,Z)-(9CI)
    • (2E,6Z,8E)-N-(2-methyl-propyl)-deca-2,6,8-trienoic acid amide
    • Spilanthol A mixture of (2E, 6Z, 8E) >80% (2E, 6E, 8E) and (2E, 6Z, 8Z)

  • Applications

    Affinin (CAS 25394-57-4) is primarily used as a fragrance ingredient in perfumery and personal care products, and is commonly evaluated as an odorant in cosmetic formulations; it may also serve as a fragrance additive in household cleaners. In industry, affinin can function as an intermediate in organic synthesis. Additionally, affinin has been explored as an odorant additive for coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 339.14
    methanol 354.97
    isopropanol 294.1
    water 0.12
    ethyl acetate 189.72
    n-propanol 256.7
    acetone 345.18
    n-butanol 280.26
    acetonitrile 117.25
    DMF 464.29
    toluene 97.22
    isobutanol 224.95
    1,4-dioxane 261.6
    methyl acetate 154.85
    THF 524.97
    2-butanone 268.42
    n-pentanol 239.46
    sec-butanol 257.22
    n-hexane 44.61
    ethylene glycol 36.92
    NMP 322.34
    cyclohexane 44.56
    DMSO 442.09
    n-butyl acetate 252.79
    n-octanol 102.34
    chloroform 578.91
    n-propyl acetate 181.86
    acetic acid 206.68
    dichloromethane 425.85
    cyclohexanone 370.15
    propylene glycol 108.45
    isopropyl acetate 163.48
    DMAc 461.39
    2-ethoxyethanol 218.93
    isopentanol 265.49
    n-heptane 20.09
    ethyl formate 126.89
    1,2-dichloroethane 313.81
    n-hexanol 267.2
    2-methoxyethanol 287.19
    isobutyl acetate 156.44
    tetrachloromethane 58.29
    n-pentyl acetate 137.58
    transcutol 682.11
    n-heptanol 110.29
    ethylbenzene 81.61
    MIBK 185.32
    2-propoxyethanol 315.68
    tert-butanol 321.29
    MTBE 265.07
    2-butoxyethanol 190.29
    propionic acid 161.96
    o-xylene 79.97
    formic acid 47.7
    diethyl ether 190.35
    m-xylene 87.39
    p-xylene 108.18
    chlorobenzene 153.25
    dimethyl carbonate 58.14
    n-octane 10.6
    formamide 54.09
    cyclopentanone 389.45
    2-pentanone 240.55
    anisole 144.0
    cyclopentyl methyl ether 213.92
    gamma-butyrolactone 316.9
    1-methoxy-2-propanol 271.72
    pyridine 228.18
    3-pentanone 153.34
    furfural 276.91
    n-dodecane 9.22
    diethylene glycol 176.6
    diisopropyl ether 73.67
    tert-amyl alcohol 269.62
    acetylacetone 225.96
    n-hexadecane 10.35
    acetophenone 153.06
    methyl propionate 135.61
    isopentyl acetate 243.05
    trichloroethylene 541.89
    n-nonanol 90.67
    cyclohexanol 211.53
    benzyl alcohol 137.73
    2-ethylhexanol 156.55
    isooctanol 97.65
    dipropyl ether 134.31
    1,2-dichlorobenzene 148.99
    ethyl lactate 103.64
    propylene carbonate 214.89
    n-methylformamide 124.78
    2-pentanol 203.59
    n-pentane 25.57
    1-propoxy-2-propanol 261.85
    1-methoxy-2-propyl acetate 204.58
    2-(2-methoxypropoxy) propanol 178.93
    mesitylene 63.56
    ε-caprolactone 276.9
    p-cymene 60.06
    epichlorohydrin 389.77
    1,1,1-trichloroethane 253.05
    2-aminoethanol 113.68
    morpholine-4-carbaldehyde 279.97
    sulfolane 416.33
    2,2,4-trimethylpentane 23.4
    2-methyltetrahydrofuran 341.65
    n-hexyl acetate 186.35
    isooctane 18.35
    2-(2-butoxyethoxy)ethanol 237.24
    sec-butyl acetate 147.11
    tert-butyl acetate 179.8
    decalin 30.9
    glycerin 110.52
    diglyme 381.37
    acrylic acid 120.92
    isopropyl myristate 78.01
    n-butyric acid 289.52
    acetyl acetate 119.33
    di(2-ethylhexyl) phthalate 86.95
    ethyl propionate 132.57
    nitromethane 204.2
    1,2-diethoxyethane 230.0
    benzonitrile 155.67
    trioctyl phosphate 62.3
    1-bromopropane 208.81
    gamma-valerolactone 401.55
    n-decanol 68.35
    triethyl phosphate 81.45
    4-methyl-2-pentanol 133.82
    propionitrile 143.71
    vinylene carbonate 176.29
    1,1,2-trichlorotrifluoroethane 296.14
    DMS 119.92
    cumene 66.8
    2-octanol 75.91
    2-hexanone 230.07
    octyl acetate 95.22
    limonene 89.38
    1,2-dimethoxyethane 333.68
    ethyl orthosilicate 83.65
    tributyl phosphate 73.96
    diacetone alcohol 210.24
    N,N-dimethylaniline 117.06
    acrylonitrile 137.21
    aniline 129.05
    1,3-propanediol 174.19
    bromobenzene 160.98
    dibromomethane 317.86
    1,1,2,2-tetrachloroethane 523.4
    2-methyl-cyclohexyl acetate 151.03
    tetrabutyl urea 98.55
    diisobutyl methanol 89.36
    2-phenylethanol 151.68
    styrene 96.37
    dioctyl adipate 113.88
    dimethyl sulfate 105.43
    ethyl butyrate 157.16
    methyl lactate 103.1
    butyl lactate 135.17
    diethyl carbonate 104.84
    propanediol butyl ether 195.84
    triethyl orthoformate 117.91
    p-tert-butyltoluene 59.15
    methyl 4-tert-butylbenzoate 143.82
    morpholine 344.19
    tert-butylamine 199.25
    n-dodecanol 53.69
    dimethoxymethane 192.21
    ethylene carbonate 145.67
    cyrene 157.98
    2-ethoxyethyl acetate 171.29
    2-ethylhexyl acetate 188.71
    1,2,4-trichlorobenzene 178.06
    4-methylpyridine 244.11
    dibutyl ether 121.47
    2,6-dimethyl-4-heptanol 89.36
    DEF 225.84
    dimethyl isosorbide 259.96
    tetrachloroethylene 288.19
    eugenol 151.34
    triacetin 162.16
    span 80 174.27
    1,4-butanediol 91.08
    1,1-dichloroethane 314.34
    2-methyl-1-pentanol 221.64
    methyl formate 92.97
    2-methyl-1-butanol 227.62
    n-decane 15.11
    butyronitrile 204.12
    3,7-dimethyl-1-octanol 110.47
    1-chlorooctane 68.61
    1-chlorotetradecane 28.83
    n-nonane 14.55
    undecane 11.3
    tert-butylcyclohexane 31.19
    cyclooctane 13.36
    cyclopentanol 194.86
    tetrahydropyran 332.52
    tert-amyl methyl ether 187.93
    2,5,8-trioxanonane 250.31
    1-hexene 162.15
    2-isopropoxyethanol 184.34
    2,2,2-trifluoroethanol 51.71
    methyl butyrate 210.08

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction